6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine

C18H24N4S — CID 133357230

IUPAC6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCSC1CCCC1Nc1cc(CC)nc(-c2ccncc2)n1
InChIInChI=1S/C18H24N4S/c1-3-14-12-17(21-15-6-5-7-16(15)23-4-2)22-18(20-14)13-8-10-19-11-9-13/h8-12,15-16H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyWTCPKSOCYHXLTL-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.19
Rot. Bonds6

About 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine

6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133357230) has the molecular formula C18H24N4S and a molecular weight of 328.48 g/mol. Its IUPAC name is 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133357230
Molecular FormulaC18H24N4S
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCSC1CCCC1Nc1cc(CC)nc(-c2ccncc2)n1
InChIInChI=1S/C18H24N4S/c1-3-14-12-17(21-15-6-5-7-16(15)23-4-2)22-18(20-14)13-8-10-19-11-9-13/h8-12,15-16H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyWTCPKSOCYHXLTL-UHFFFAOYSA-N
XLogP4.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
2-N-ethyl-6-N-(2-ethylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122162
6-ethyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133330010
3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 133345058
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167847437
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
N-(2-tert-butylsulfanylethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133294320
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882
2-chloro-N-(2-ethylsulfanylcyclopentyl)pyridin-4-amine
CID 103804841
3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114121663

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine (CID 133357230) is 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine is CCSC1CCCC1Nc1cc(CC)nc(-c2ccncc2)n1.
What is the InChIKey of 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is WTCPKSOCYHXLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-3-14-12-17(21-15-6-5-7-16(15)23-4-2)22-18(20-14)13-8-10-19-11-9-13/h8-12,15-16H,3-7H2,1-2H3,(H,20,21,22).
What are the key properties of 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine?
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 328.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133357230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).